UCSF

ZINC34994947

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 6.6 -45.5 2 3 1 29 303.451 6
Hi High (pH 8-9.5) 3.19 5.25 -5.38 1 3 0 24 302.443 6
Lo Low (pH 4.5-6) 3.19 8.86 -124.78 3 3 2 30 304.459 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )